COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.519  -0.368   0.020  1.00  0.00           C  
HETATM    2  C   UNL     1       8.196  -0.049  -0.222  1.00  0.00           C  
HETATM    3 CL   UNL     1      10.776   0.711  -0.497  1.00  0.00          Cl  
HETATM    4  C   UNL     1       7.192  -0.912   0.191  1.00  0.00           C  
HETATM    5 CL   UNL     1      -8.531   0.106   0.656  1.00  0.00          Cl  
HETATM    6  C   UNL     1       7.521  -2.098   0.849  1.00  0.00           C  
HETATM    7  C   UNL     1       8.851  -2.410   1.088  1.00  0.00           C  
HETATM    8  C   UNL     1       9.844  -1.543   0.677  1.00  0.00           C  
HETATM    9  N   UNL     1       6.321  -2.746   1.136  1.00  0.00           N  
HETATM   10  C   UNL     1       5.309  -1.988   0.674  1.00  0.00           C  
HETATM   11  N   UNL     1       5.802  -0.875   0.098  1.00  0.00           N  
HETATM   12  C   UNL     1       6.184  -4.032   1.823  1.00  0.00           C  
HETATM   13  O   UNL     1       4.128  -2.266   0.762  1.00  0.00           O  
HETATM   14  C   UNL     1       5.012   0.193  -0.519  1.00  0.00           C  
HETATM   15  C   UNL     1       4.187  -0.383  -1.673  1.00  0.00           C  
HETATM   16  C   UNL     1       3.319   0.725  -2.275  1.00  0.00           C  
HETATM   17  N   UNL     1       2.432   1.270  -1.240  1.00  0.00           N  
HETATM   18  C   UNL     1       3.202   1.871  -0.143  1.00  0.00           C  
HETATM   19  C   UNL     1       4.067   0.798   0.522  1.00  0.00           C  
HETATM   20  C   UNL     1       1.487   2.238  -1.813  1.00  0.00           C  
HETATM   21  C   UNL     1       0.427   2.595  -0.769  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.557   3.604  -1.365  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.572   3.946  -0.366  1.00  0.00           N  
HETATM   24  N   UNL     1      -2.648   3.249  -0.305  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.598   3.499   0.565  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.461   4.568   1.481  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.324   5.320   1.430  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.349   4.979   0.467  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.820   2.659   0.587  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.831   2.921   1.509  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.967   2.136   1.526  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.101   1.090   0.629  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.098   0.826  -0.288  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.963   1.608  -0.317  1.00  0.00           C  
HETATM   35  O   UNL     1      -0.313   5.621   0.388  1.00  0.00           O  
HETATM   36  C   UNL     1      -6.251  -0.315  -1.261  1.00  0.00           C  
HETATM   37  N   UNL     1      -6.037  -1.585  -0.562  1.00  0.00           N  
HETATM   38  C   UNL     1      -6.124  -2.749  -1.236  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.909  -4.030  -0.531  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.998  -5.237  -1.226  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.796  -6.429  -0.562  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.505  -6.430   0.791  1.00  0.00           C  
HETATM   43  C   UNL     1      -5.414  -5.237   1.486  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.609  -4.038   0.832  1.00  0.00           C  
HETATM   45  O   UNL     1      -6.380  -2.745  -2.425  1.00  0.00           O  
HETATM   46  H   UNL     1       7.945   0.870  -0.731  1.00  0.00           H  
HETATM   47  H   UNL     1       9.109  -3.327   1.597  1.00  0.00           H  
HETATM   48  H   UNL     1      10.880  -1.786   0.863  1.00  0.00           H  
HETATM   49  H   UNL     1       6.103  -3.864   2.897  1.00  0.00           H  
HETATM   50  H   UNL     1       5.288  -4.541   1.467  1.00  0.00           H  
HETATM   51  H   UNL     1       7.059  -4.649   1.617  1.00  0.00           H  
HETATM   52  H   UNL     1       5.680   0.967  -0.899  1.00  0.00           H  
HETATM   53  H   UNL     1       4.857  -0.776  -2.438  1.00  0.00           H  
HETATM   54  H   UNL     1       3.549  -1.183  -1.300  1.00  0.00           H  
HETATM   55  H   UNL     1       3.958   1.519  -2.661  1.00  0.00           H  
HETATM   56  H   UNL     1       2.720   0.315  -3.088  1.00  0.00           H  
HETATM   57  H   UNL     1       3.842   2.659  -0.539  1.00  0.00           H  
HETATM   58  H   UNL     1       2.517   2.293   0.592  1.00  0.00           H  
HETATM   59  H   UNL     1       3.426   0.015   0.930  1.00  0.00           H  
HETATM   60  H   UNL     1       4.650   1.247   1.326  1.00  0.00           H  
HETATM   61  H   UNL     1       2.025   3.140  -2.107  1.00  0.00           H  
HETATM   62  H   UNL     1       1.004   1.802  -2.687  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.111   1.694  -0.475  1.00  0.00           H  
HETATM   64  H   UNL     1       0.910   3.032   0.105  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.019   4.505  -1.660  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.040   3.168  -2.240  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.236   4.784   2.201  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.172   6.147   2.108  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.727   3.736   2.210  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.751   2.338   2.240  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.183   1.404  -1.036  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.254  -0.299  -1.686  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.516  -0.213  -2.060  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.833  -1.588   0.386  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.226  -5.237  -2.282  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.865  -7.363  -1.099  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.347  -7.366   1.306  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.187  -5.244   2.542  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.534  -3.107   1.375  1.00  0.00           H  
CONECT    1    2    2    3    8                                       
CONECT    2    1    1    4   46                                       
CONECT    3    1                                                      
CONECT    4    2    6    6   11                                       
CONECT    5   32                                                      
CONECT    6    4    4    7    9                                       
CONECT    7    6    8    8   47                                       
CONECT    8    1    7    7   48                                       
CONECT    9    6   10   12                                            
CONECT   10    9   11   13   13                                       
CONECT   11    4   10   14                                            
CONECT   12    9   49   50   51                                       
CONECT   13   10   10                                                 
CONECT   14   11   15   19   52                                       
CONECT   15   14   16   53   54                                       
CONECT   16   15   17   55   56                                       
CONECT   17   16   18   20                                            
CONECT   18   17   19   57   58                                       
CONECT   19   14   18   59   60                                       
CONECT   20   17   21   61   62                                       
CONECT   21   20   22   63   64                                       
CONECT   22   21   23   65   66                                       
CONECT   23   22   24   28                                            
CONECT   24   23   25   25                                            
CONECT   25   24   24   26   29                                       
CONECT   26   25   27   27   67                                       
CONECT   27   26   26   28   68                                       
CONECT   28   23   27   35   35                                       
CONECT   29   25   30   30   34                                       
CONECT   30   29   29   31   69                                       
CONECT   31   30   32   32   70                                       
CONECT   32    5   31   31   33                                       
CONECT   33   32   34   34   36                                       
CONECT   34   29   33   33   71                                       
CONECT   35   28   28                                                 
CONECT   36   33   37   72   73                                       
CONECT   37   36   38   74                                            
CONECT   38   37   39   45   45                                       
CONECT   39   38   40   40   44                                       
CONECT   40   39   39   41   75                                       
CONECT   41   40   42   42   76                                       
CONECT   42   41   41   43   77                                       
CONECT   43   42   44   44   78                                       
CONECT   44   39   43   43   79                                       
CONECT   45   38   38                                                 
CONECT   46    2                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   30                                                      
CONECT   70   31                                                      
CONECT   71   34                                                      
CONECT   72   36                                                      
CONECT   73   36                                                      
CONECT   74   37                                                      
CONECT   75   40                                                      
CONECT   76   41                                                      
CONECT   77   42                                                      
CONECT   78   43                                                      
CONECT   79   44                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
